N-(2,5-dimethoxyphenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide Openeye Name: N-(2,5-dimethoxyphenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide CAS Name: N-(2,5-dimethoxyphenyl)-4-phenethyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-(2,5-dimethoxyphenyl)-4-phenethylpiperazin-4-ium-1-carboxamide Traditional Name: N-(2,5-dimethoxyphenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3/c1-26-18-8-9-20(27-2)19(16-18)22-21(25)24-14-12-23(13-15-24)11-10-17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3,(H,22,25)/p+1